Geometry & MOs

Info

ID:	37461
PubChem CID:	8021368
Reduced:	BrFNO3H15C18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	341.142722
ΔH_f, kcal/mol:	-114.59
Dipole, Da:	5.53
IP(EA), eV:	-9.12(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propan-2-ylanilino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)F

DOS

IR

Vibrations